[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride

C10H14ClF3N2 — CID 164678886

IUPAC[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride
SMILESCc1ccc(C(CC(F)(F)F)NN)cc1.Cl
InChIInChI=1S/C10H13F3N2.ClH/c1-7-2-4-8(5-3-7)9(15-14)6-10(11,12)13;/h2-5,9,15H,6,14H2,1H3;1H
InChIKeyZSTBLTLDXCPZHE-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.87
Rot. Bonds3

About [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride

[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride (PubChem CID 164678886) has the molecular formula C10H14ClF3N2 and a molecular weight of 254.68 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride
PubChem CID164678886
Molecular FormulaC10H14ClF3N2
Molecular Weight254.68 g/mol
Exact Mass254.08
IUPAC Name[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride
SMILESCc1ccc(C(CC(F)(F)F)NN)cc1.Cl
InChIInChI=1S/C10H13F3N2.ClH/c1-7-2-4-8(5-3-7)9(15-14)6-10(11,12)13;/h2-5,9,15H,6,14H2,1H3;1H
InChIKeyZSTBLTLDXCPZHE-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride?
The IUPAC name of [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride (CID 164678886) is [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride.
What is the SMILES notation for [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride?
The canonical SMILES for [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride is Cc1ccc(C(CC(F)(F)F)NN)cc1.Cl.
What is the InChIKey of [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride?
The InChIKey is ZSTBLTLDXCPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2.ClH/c1-7-2-4-8(5-3-7)9(15-14)6-10(11,12)13;/h2-5,9,15H,6,14H2,1H3;1H.
What are the key properties of [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride?
[3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride has a molecular weight of 254.68 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(4-methylphenyl)propyl]hydrazine;hydrochloride is sourced from PubChem (CID 164678886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).